For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R,5S)-2-tert-Butyl-6,6-dimethyl-5-propyl-1,3-dioxan-4-one
SpectraBase Compound ID 72v1Kz4NhB2
InChI InChI=1S/C13H24O3/c1-7-8-9-10(14)15-11(12(2,3)4)16-13(9,5)6/h9,11H,7-8H2,1-6H3/t9-,11+/m1/s1
InChIKey ZPVOSWLMFZZYEG-KOLCDFICSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 51LjnhVt0fa
Name (2R,5S)-2-tert-Butyl-6,6-dimethyl-5-propyl-1,3-dioxan-4-one
CAS Registry Number 128973-61-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-7-8-9-10(14)15-11(12(2,3)4)16-13(9,5)6/h9,11H,7-8H2,1-6H3/t9-,11+/m1/s1
InChIKey ZPVOSWLMFZZYEG-KOLCDFICSA-N
Molecular Weight 228.332 g/mol
SMILES C1(O[C@](C(C)(C)C)(OC([C@@]1(CCC)[H])(C)C)[H])=O
SPLASH splash10-004l-9720000000-320745b011da905d4f49
Source of Spectrum K-123-2436-13
Wiley ID 1229775